2-(2-methylprop-1-enyl)cyclohexa-1,3-diene

C10H14 — CID 12596381

IUPAC2-(2-methylprop-1-enyl)cyclohexa-1,3-diene
SMILESCC(C)=CC1=CCCC=C1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeySCFLFOXHHQFTKC-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds1

About 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene

2-(2-methylprop-1-enyl)cyclohexa-1,3-diene (PubChem CID 12596381) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)cyclohexa-1,3-diene
PubChem CID12596381
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-(2-methylprop-1-enyl)cyclohexa-1,3-diene
SMILESCC(C)=CC1=CCCC=C1
InChIInChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3
InChIKeySCFLFOXHHQFTKC-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene (CID 12596381) is 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene is CC(C)=CC1=CCCC=C1.
What is the InChIKey of 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene?
The InChIKey is SCFLFOXHHQFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene?
2-(2-methylprop-1-enyl)cyclohexa-1,3-diene has a molecular weight of 134.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)cyclohexa-1,3-diene is sourced from PubChem (CID 12596381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).